3-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-Benzoic Acid
[CAS# 26180-28-9]

Identification

• Name: 3-(2,5-Dimethyl-1H-Pyrrol-1-Yl)-Benzoic Acid
• Synonyms: 3-(2,5-Dimethyl-1-Pyrrolyl)Benzoic Acid; Cbdive_006896; 3-(2,5-Dimethyl-Pyrrol-1-Yl)-Benzoic Acid
• Molecular Formula: C₁₃H₁₃NO₂
• Molecular Weight: 215.25
• CAS Registry Number: 26180-28-9
• SMILES: C2=C([N](C1=CC(=CC=C1)C(=O)O)C(=C2)C)C
• InChI: 1S/C13H13NO2/c1-9-6-7-10(2)14(9)12-5-3-4-11(8-12)13(15)16/h3-8H,1-2H3,(H,15,16)
• InChIKey: NJPUZFUOUGTNOV-UHFFFAOYSA-N

Properties

• Density: 1.142g/cm³ (Cal.)
• Boiling point: 401.918°C at 760 mmHg (Cal.)
• Flash point: 196.873°C (Cal.)